ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006522
RECORD_TITLE: ISOBUTYL ISOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL ISOPENTANOATE
CH$NAME: ISOBUTYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CC(C)COC(=O)CC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY KEBDNKNVCHQIJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060431

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4r-9000000000-336ea180a0659bc877c5
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 11.36 114
  29 15.37 154
  31 1.27 13
  39 13.13 131
  41 39.73 397
  42 8.76 88
  43 15.83 158
  45 1.52 15
  53 1.02 10
  55 4.13 41
  56 46.08 461
  57 80.83 808
  58 3.01 30
  59 2.26 23
  60 14.64 146
  61 2.89 29
  69 1.64 16
  73 2.26 23
  85 99.99 999
  86 4.97 50
  87 9.6 96
  101 1.16 12
  102 2.74 27
  103 22.35 224
  104 1.23 12
  115 3.27 33
  116 3.19 32
  128 1.15 12
//